Task 38679060

Name test_242-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND0592_0
Workunit 31620856
Created 26 Oct 2026, 19:20:37 UTC
Sent 26 Oct 2026, 19:20:43 UTC
Report deadline 31 Oct 2026, 19:20:43 UTC
Received 26 Oct 2026, 19:52:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 597137
Run time 30 min 4 sec
CPU time 27 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.35 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:22:05 (26736): wrapper (7.9.26016): starting
14:22:05 (26736): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
14:22:08 (26736): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:22:08 (26736): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\20\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\20\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:51:01 (26736): C:/Windows/system32/cmd.exe exited; CPU time 1667.437500
14:51:01 (26736): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 34204513 bytes.
Dumping objects ->
{3835239} normal block at 0x000001977D9B1990, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001977D9B1BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000001977D9B1B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x000001977D9B1840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001977D9B1920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x000001977F52AA80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001977D99F2E0, 255 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835150} normal block at 0x000001977D9AD010, 8 bytes long.
 Data: <  & &#151;   > 00 00 26 7F 97 01 00 00 
{3834551} normal block at 0x000001977D99F560, 255 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001977D9ACF20, 8 bytes long.
 Data: < Xd &#151;   > 00 58 64 7F 97 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001977D99F1A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001977D99A1F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001977D9B2590, 16 bytes long.
 Data: <&#232;5&#155;}&#151;           > E8 35 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001977D9B2220, 16 bytes long.
 Data: <&#192;5&#155;}&#151;           > C0 35 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001977D9AD350, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001977D9B2B80, 16 bytes long.
 Data: < 5&#155;}&#151;           > 98 35 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001977D9B2360, 16 bytes long.
 Data: <p5&#155;}&#151;           > 70 35 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001977D9B23B0, 16 bytes long.
 Data: <H5&#155;}&#151;           > 48 35 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001977D9B2540, 16 bytes long.
 Data: < 5&#155;}&#151;           > 20 35 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001977D9B1D10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001977D9B2AE0, 16 bytes long.
 Data: <&#200;&#215; }&#151;           > C8 D7 99 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001977D9AE010, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001977D9B2E00, 16 bytes long.
 Data: <&#160;&#215; }&#151;           > A0 D7 99 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001977D9B2A40, 16 bytes long.
 Data: <x&#215; }&#151;           > 78 D7 99 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001977D9B2DB0, 16 bytes long.
 Data: <P&#215; }&#151;           > 50 D7 99 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001977D9B2C70, 16 bytes long.
 Data: <(&#215; }&#151;           > 28 D7 99 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001977D9B2630, 16 bytes long.
 Data: < &#215; }&#151;           > 00 D7 99 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001977D9B27C0, 16 bytes long.
 Data: <&#216;&#214; }&#151;           > D8 D6 99 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001977D9AD710, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001977D9B2400, 16 bytes long.
 Data: <&#176;&#214; }&#151;           > B0 D6 99 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001977D99D6B0, 320 bytes long.
 Data: < $&#155;}&#151;    &#215;&#154;}&#151;   > 00 24 9B 7D 97 01 00 00 10 D7 9A 7D 97 01 00 00 
{269} normal block at 0x000001977D9B29A0, 16 bytes long.
 Data: < 5&#155;}&#151;           > 00 35 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001977D9B2770, 16 bytes long.
 Data: <&#216;4&#155;}&#151;           > D8 34 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001977D9AD830, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001977D9B1F50, 16 bytes long.
 Data: <&#176;4&#155;}&#151;           > B0 34 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001977D9ADEF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001977D9B21D0, 16 bytes long.
 Data: <&#248;3&#155;}&#151;           > F8 33 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001977D9B24F0, 16 bytes long.
 Data: <&#208;3&#155;}&#151;           > D0 33 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001977D9B2310, 16 bytes long.
 Data: <&#168;3&#155;}&#151;           > A8 33 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001977D9B26D0, 16 bytes long.
 Data: < 3&#155;}&#151;           > 80 33 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001977D9B2180, 16 bytes long.
 Data: <X3&#155;}&#151;           > 58 33 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001977D9B2720, 16 bytes long.
 Data: <03&#155;}&#151;           > 30 33 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001977D9B22C0, 16 bytes long.
 Data: <0 &#155;}&#151;           > 30 1C 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001977D9B1C30, 40 bytes long.
 Data: <&#192;"&#155;}&#151;    &#170;R &#151;   > C0 22 9B 7D 97 01 00 00 80 AA 52 7F 97 01 00 00 
{255} normal block at 0x000001977D9B2270, 16 bytes long.
 Data: < 3&#155;}&#151;           > 10 33 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001977D9B24A0, 16 bytes long.
 Data: <&#232;2&#155;}&#151;           > E8 32 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001977D9ADD70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001977D9B2A90, 16 bytes long.
 Data: <&#192;2&#155;}&#151;           > C0 32 9B 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001977D9B32C0, 992 bytes long.
 Data: < *&#155;}&#151;   p&#221;&#154;}&#151;   > 90 2A 9B 7D 97 01 00 00 70 DD 9A 7D 97 01 00 00 
{87} normal block at 0x000001977D9AD470, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001977D9AC480, 16 bytes long.
 Data: <&#160;&#174; }&#151;           > A0 AE 99 7D 97 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001977D99AEA0, 40 bytes long.
 Data: < &#196;&#154;}&#151;   p&#212;&#154;}&#151;   > 80 C4 9A 7D 97 01 00 00 70 D4 9A 7D 97 01 00 00 
{64} normal block at 0x000001977D9ACB60, 16 bytes long.
 Data: < &#234; &#138;&#247;           > 80 EA 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001977D9ACB10, 16 bytes long.
 Data: <@&#233; &#138;&#247;           > 40 E9 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001977D9AC7F0, 16 bytes long.
 Data: <&#248;W~&#138;&#247;           > F8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001977D9AC7A0, 16 bytes long.
 Data: <&#216;W~&#138;&#247;           > D8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001977D9AD100, 16 bytes long.
 Data: <P ~&#138;&#247;           > 50 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001977D9AC750, 16 bytes long.
 Data: <0 ~&#138;&#247;           > 30 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001977D9AC610, 16 bytes long.
 Data: <&#224; ~&#138;&#247;           > E0 02 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001977D9ACD90, 16 bytes long.
 Data: <  ~&#138;&#247;           > 10 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001977D9AD150, 16 bytes long.
 Data: <p ~&#138;&#247;           > 70 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001977D9AC890, 16 bytes long.
 Data: < &#192;|&#138;&#247;           > 18 C0 7C 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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